2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide

C17H20ClNO3S — CID 43909378

IUPAC2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCSCc1ccco1
InChIInChI=1S/C17H20ClNO3S/c1-2-15(22-16-8-4-3-7-14(16)18)17(20)19-9-11-23-12-13-6-5-10-21-13/h3-8,10,15H,2,9,11-12H2,1H3,(H,19,20)
InChIKeyVUKRKTAOMKNCRA-UHFFFAOYSA-N
MW353.87 g/mol
LogP4.14
Rot. Bonds9

About 2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide

2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide (PubChem CID 43909378) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
PubChem CID43909378
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC Name2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCSCc1ccco1
InChIInChI=1S/C17H20ClNO3S/c1-2-15(22-16-8-4-3-7-14(16)18)17(20)19-9-11-23-12-13-6-5-10-21-13/h3-8,10,15H,2,9,11-12H2,1H3,(H,19,20)
InChIKeyVUKRKTAOMKNCRA-UHFFFAOYSA-N
XLogP4.14
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
CID 92683250
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 92683340
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 99954558
(2S)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-phenoxybutanamide
CID 9180836
2-(2-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 133239943
2-(2-chloro-5-methylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 18113714
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
(2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 38462113
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 28635367
2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
CID 53286413

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide (CID 43909378) is 2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide is CCC(Oc1ccccc1Cl)C(=O)NCCSCc1ccco1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide?
The InChIKey is VUKRKTAOMKNCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-2-15(22-16-8-4-3-7-14(16)18)17(20)19-9-11-23-12-13-6-5-10-21-13/h3-8,10,15H,2,9,11-12H2,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide?
2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide has a molecular weight of 353.87 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide is sourced from PubChem (CID 43909378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).